N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpropan-2-amine

C14H23NO2 — CID 4717191

IUPACN-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpropan-2-amine
SMILESCCOc1cc(CNC(C)(C)C)ccc1OC
InChIInChI=1S/C14H23NO2/c1-6-17-13-9-11(7-8-12(13)16-5)10-15-14(2,3)4/h7-9,15H,6,10H2,1-5H3
InChIKeyDPDUITIZVYAZKO-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.98
Rot. Bonds5

About N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpropan-2-amine

N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpropan-2-amine (PubChem CID 4717191) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpropan-2-amine
PubChem CID4717191
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC NameN-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpropan-2-amine
SMILESCCOc1cc(CNC(C)(C)C)ccc1OC
InChIInChI=1S/C14H23NO2/c1-6-17-13-9-11(7-8-12(13)16-5)10-15-14(2,3)4/h7-9,15H,6,10H2,1-5H3
InChIKeyDPDUITIZVYAZKO-UHFFFAOYSA-N
XLogP2.98
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine
CID 4717500
N-[[3-(cyclopentylmethoxy)-4-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 63056811
1-[5-[(tert-butylamino)methyl]-2-methoxyphenoxy]propan-2-ol
CID 63055789
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methylpentan-2-amine
CID 115621687
N-[(3-chloro-4-ethoxyphenyl)methyl]-2-methylpropan-2-amine;hydrochloride
CID 17156923
N-[(3,4-diethoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine
CID 4722949
N-[(3-ethoxy-4-methoxyphenyl)methyl]propan-1-amine
CID 4717518
N-[(3-methoxy-4-pentoxyphenyl)methyl]-2-methylpropan-2-amine
CID 54847727
N-[[4-(3-chloroprop-2-enoxy)-3-ethoxyphenyl]methyl]-2-methylpropan-2-amine
CID 76983242
2-chloro-N-[(3,4-dimethoxyphenyl)methyl]propan-2-amine
CID 19868328
N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpropan-1-amine
CID 4717598
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 60760640

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpropan-2-amine (CID 4717191) is N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpropan-2-amine is CCOc1cc(CNC(C)(C)C)ccc1OC.
What is the InChIKey of N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpropan-2-amine?
The InChIKey is DPDUITIZVYAZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-6-17-13-9-11(7-8-12(13)16-5)10-15-14(2,3)4/h7-9,15H,6,10H2,1-5H3.
What are the key properties of N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpropan-2-amine?
N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpropan-2-amine has a molecular weight of 237.34 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 4717191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).